CID 151029

2,5-dichloro-4-hydroxyphenoxyacetic acid

Structural Information

Molecular Formula
C8H6Cl2O4
SMILES
C1=C(C(=CC(=C1Cl)OCC(=O)O)Cl)O
InChI
InChI=1S/C8H6Cl2O4/c9-4-2-7(14-3-8(12)13)5(10)1-6(4)11/h1-2,11H,3H2,(H,12,13)
InChIKey
UENNJUJWZAJJIG-UHFFFAOYSA-N
Compound name
2-(2,5-dichloro-4-hydroxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

235.96431 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.971586 139.0
[M+Na]+ 258.953528 149.7
[M-H]- 234.957034 140.5
[M+NH4]+ 253.998133 157.3
[M+K]+ 274.927468 145.1
[M+H-H2O]+ 218.961570 136.3
[M+HCOO]- 280.962511 151.6
[M+CH3COO]- 294.978161 183.5
[M+Na-2H]- 256.938976 142.8
[M]+ 235.96376142 143.6
[M]- 235.96485858 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.